N-{[3-(1H-Indazol-5-Yl)Phenyl]Sulfonyl}-L-Threoninamide

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Properties Simple | Detailed

Formula C17H18N4O4S
IUPAC Name (2s,3r)-2-amino-3-hydroxy-n-(3-indazol-2-ium-7a-ylium-5-ylphenyl)sulfonyl-butanamide
Molecular Mass 374.414 g·mol−1
Heat of Formation -337.1 ± 16.7 kJ·mol−1
Dipole Moment 6.06 ± 1.08 D
Volume 413.37 Å 3
Surface Area 364.02 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
InChIKey RDKBQXPBHLCILS-HWPZZCPQSA-N
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